SCHEMBL17264306

SCHEMBL17264306

c1cc2c(cn1)-c1cnncc1C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
TNF P01375 4/20 0.35
CYP19A1 P11511 4/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CDC25B P30305 1/20 0.32
RPS6KA3 P51812 1/20 0.32
CYP11B2 P19099 2/20 0.31
CYP11B1 P15538 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CDK1 P06493 1/20 0.30
CDK2 P24941 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9271489 0.89 SIGMAR1 (0.48) SIGMAR1CHRNB2CHRNA4TNFCYP19A1
SCHEMBL30322659 0.89 SIGMAR1 (0.48) SIGMAR1CHRNB2CHRNA4TNFCYP19A1
SCHEMBL17264312 0.87 SIGMAR1 (0.40) SIGMAR1CHRNB2CHRNA4TNFCYP19A1
SCHEMBL8618246 0.84 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4TNFCYP19A1
SCHEMBL30322863 0.78 MAOA (0.47) SIGMAR1TNFCYP19A1MAOAMAOB
SCHEMBL3075871 0.78 MAOA (0.47) SIGMAR1TNFCYP19A1MAOAMAOB
SCHEMBL11559098 0.77 MAOA (0.45) SIGMAR1TNFCYP19A1MAOAMAOB
SCHEMBL14452876 0.74 SIGMAR1 (0.48) SIGMAR1CHRNB2CHRNA4MAOAMAOB
SCHEMBL29699898 0.74 SIGMAR1 (0.48) SIGMAR1CHRNB2CHRNA4MAOAMAOB
SCHEMBL17264315 0.74 CHRNB2 (0.37) SIGMAR1CHRNB2CHRNA4TNFCYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850253-B2 Condensed cyclic compound and organic light emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-12-26 US disclosed
US-20150333271-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-11-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150333271-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNA1 SIGMAR1 2410/4885CHRNB2 1953/4885CHRNA4 667/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.